SCHEMBL951535

SCHEMBL951535

FC(F)(F)c1cc(COC[C@@H]2CNCC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.52
SLC6A4 P31645 5/20 0.50
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12602183 1.00 TACR1 (0.52) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL951533 1.00 TACR1 (0.52) TACR1SLC6A4TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL952098 0.99 TACR1 (0.51) TACR1SLC6A4TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL952099 0.99 TACR1 (0.51) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL12946622 0.94 TACR1 (0.47) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL951542 0.90 GRK2 (0.53) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL12602253 0.90 GRK2 (0.53) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL4659087 0.90 GRK2 (0.53) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL4967825 0.90 TACR1 (0.52) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL4005877 0.90 TACR1 (0.52) TACR1SLC6A4TP53CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US claimed
EP-2004605-B1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-29 EP claimed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US claimed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US claimed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY SLC6A4, SLC6A1, SLC1A2 TACR1 71/4885SLC6A4 1/4885TP53 4473/4885
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety SLC6A4, SLC6A1, SLC1A2 TACR1 71/4885SLC6A4 1/4885TP53 4473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.